3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid

C24H19ClF2O3 — CID 10202868

IUPAC3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC=C(c2ccc(F)cc2)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C24H19ClF2O3/c25-22-15-16(2-12-24(28)29)1-11-23(22)30-14-13-21(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h1,3-11,13,15H,2,12,14H2,(H,28,29)
InChIKeyXVFYDSIKVHRWQD-UHFFFAOYSA-N
MW428.86 g/mol
LogP6.15
Rot. Bonds8

About 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid

3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid (PubChem CID 10202868) has the molecular formula C24H19ClF2O3 and a molecular weight of 428.86 g/mol. Its IUPAC name is 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid
PubChem CID10202868
Molecular FormulaC24H19ClF2O3
Molecular Weight428.86 g/mol
Exact Mass428.10
IUPAC Name3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC=C(c2ccc(F)cc2)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C24H19ClF2O3/c25-22-15-16(2-12-24(28)29)1-11-23(22)30-14-13-21(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h1,3-11,13,15H,2,12,14H2,(H,28,29)
InChIKeyXVFYDSIKVHRWQD-UHFFFAOYSA-N
XLogP6.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.86
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid
CID 10177794
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
2-[4-[(E)-3-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 67965806
(E)-4-(2-chloro-4-fluorophenoxy)but-2-enoic acid
CID 62342499
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
4-[4-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247252
3-[3-chloro-4-(thietan-3-yloxy)phenyl]propanoic acid
CID 117434667
2-[3-chloro-4-(3-methyl-5-phenylpent-2-en-4-ynoxy)phenyl]acetic acid
CID 141066385
3-chloro-4-[2-(4-fluorophenoxy)ethoxy]benzoic acid
CID 45418727

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid?
The IUPAC name of 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid (CID 10202868) is 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid is O=C(O)CCc1ccc(OCC=C(c2ccc(F)cc2)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid?
The InChIKey is XVFYDSIKVHRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2O3/c25-22-15-16(2-12-24(28)29)1-11-23(22)30-14-13-21(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h1,3-11,13,15H,2,12,14H2,(H,28,29).
What are the key properties of 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid?
3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid has a molecular weight of 428.86 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]-3-chlorophenyl]propanoic acid is sourced from PubChem (CID 10202868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).